SCHEMBL28779294

SCHEMBL28779294

COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C(=O)N=[N+]=NCC3CCCCN3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 19/20 0.51
PIK3CD O00329 2/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
PRKDC P78527 1/20 0.51
PIK3C3 Q8NEB9 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL188533 0.85 PIK3CG (0.55) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL27823122 0.84 PIK3CG (0.35) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188502 0.77 PIK3CG (0.72) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL184946 0.77 PIK3CG (0.69) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189404 0.76 PIK3CG (0.71) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188885 0.76 PIK3CG (0.56) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188987 0.76 PIK3CG (0.67) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL1791075 0.76 PIK3CG (0.68) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188887 0.76 PIK3CG (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189087 0.76 PIK3CG (0.68) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528231-A Use of PI3K and MEK modulators in the treatment of cancer EXELIXIS INC (US) 2009-09-09 CN disclosed